(phenylmethyl) (2E,4S,5S)-4-chloranyl-5-phenyl-3-pyrrolidin-1-yl-hepta-2,6-dienoate

Systemtic Name: (phenylmethyl) (2E,4S,5S)-4-chloranyl-5-phenyl-3-pyrrolidin-1-yl-hepta-2,6-dienoate Openeye Name: benzyl (2E,4S,5S)-4-chloro-5-phenyl-3-pyrrolidin-1-yl-hepta-2,6-dienoate CAS Name: (2E,4S,5S)-4-chloro-5-phenyl-3-(1-pyrrolidinyl)hepta-2,6-dienoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E,4S,5S)-4-chloro-5-phenyl-3-pyrrolidin-1-ylhepta-2,6-dienoate Traditional Name: (2E,4S,5S)-4-chloro-5-phenyl-3-pyrrolidino-hepta-2,6-dienoic acid benzyl ester Formula: C24H26ClNO2 MolecularWeight: 395.92174

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CC=C1)C(C(=CC(=O)OCC2=CC=CC=C2)N3CCCC3)Cl

Isomeric SMILES

C=C[C@@H](C1=CC=CC=C1)[C@@H](/C(=C\C(=O)OCC2=CC=CC=C2)/N3CCCC3)Cl

InChI

InChI=1S/C24H26ClNO2/c1-2-21(20-13-7-4-8-14-20)24(25)22(26-15-9-10-16-26)17-23(27)28-18-19-11-5-3-6-12-19/h2-8,11-14,17,21,24H,1,9-10,15-16,18H2/b22-17+/t21-,24-/m0/s1